Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: 95%+
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | 95%+ | 0 Out of Stock | Hong Kong | Inquiry |
445-68-1 / 2-fluoro-1-methoxy-3-nitrobenzene
Basic Information
CAS
445-68-1
Multi CAS
No
Molecular Formula
C7FH6NO3
Molecular Weight
171.130000
Exact Mass
171.033171
InChI
InChI=1S/C7H6FNO3/c1-12-6-4-2-3-5(7(6)8)9(10)11/h2-4H,1H3
InChIKey
WDQHQUDZNPCCAF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
39.61
TPSA
52.37
LogP / Solubility
WLOGP
1.74
MLOGP
1.53
XLogP3
1
Consensus LogP
1.42
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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4-AMino-2-fluoro-5-nitroanisole[5-Fluoro-4-Methoxy-2-nitroaniline]
- CAS RN: 446-20-8
- Product Code: SSC-152623
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![CAS 446-20-8 4-AMino-2-fluoro-5-nitroanisole[5-Fluoro-4-Methoxy-2-nitroaniline] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/446-20-8.gif)
